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GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	B1 bradykinin receptor
Species	Oryctolagus cuniculus (Rabbit)
Gene	BDKRB1
Synonym	B1R BK-1 receptor
Disease	N/A for non-human GPCRs
Length	352
Amino acid sequence	MASQGPLELQPSNQSQLAPPNATSCSGAPDAWDLLHRLLPTFIIAIFTLGLLGNSFVLSVFLLARRRLSVAEIYLANLAASDLVFVLGLPFWAENVRNQFDWPFGAALCRIVNGVIKANLFISIFLVVAISQDRYSVLVHPMASRRGRRRRQAQATCALIWLAGGLLSTPTFVLRSVRAVPELNVSACILLLPHEAWHWLRMVELNLLGFLLPLAAILFFNCHILASLRRRGERVPSRCGGPRDSKSTALILTLVASFLVCWAPYHFFAFLECLWQVHAIGGCFWEEFTDLGLQLSNFSAFVNSCLNPVIYVFVGRLFRTKVWELCQQCSPRSLAPVSSSRRKEMLWGFWRN
UniProt	P48748
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL4087
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	Safotibant
Molecular formula	C25H34N4O5S
IUPAC name	N-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfonyl-methylamino]ethoxy]-N-methylacetamide
Molecular weight	502.63
Hydrogen bond acceptor	7
Hydrogen bond donor	1
XlogP	1.6
Synonyms	02HU8HWP7U DTXSID20212769 N-(4-(4,5-dihydro-1H-imidazol-2-yl)benzyl)-2-(2-(4-methoxy-N,2,6-trimethylphenylsulfonamido)ethoxy)-N-methylacetamide Acetamide, N-((4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)methyl)-2-(2-(((4-methoxy-2,6-dimethylphenyl)sulfonyl)methylamino)ethoxy)-N-methyl- Lf 22-0542 SCHEMBL1723565 CHEMBL1254771 N-((4-(4,5-Dihydro-1H-imidazol-2-yl)phenyl)methyl)-2-(2-(((4-methoxy-2,6-dimethylphenyl)sulfonyl)methylamino)ethoxy)-N-methylacetamide FOV-2304 BDBM50326708 LF-22-0542 UNII-02HU8HWP7U D06BHG N-((4-(4,5-Dihydro-1H-imidazol-2-yl)phenyl]methyl)-2-(2-((4-methoxy-2,6-dimethylbenzenesulfonyl)(methyl)amino]ethoxy)-N-methylacetamide 633698-99-4 L022637 Safotibant [INN] LF22-0542 [ Show all ]
Inchi Key	AMTQCENHQIDBHQ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H34N4O5S/c1-18-14-22(33-5)15-19(2)24(18)35(31,32)29(4)12-13-34-17-23(30)28(3)16-20-6-8-21(9-7-20)25-26-10-11-27-25/h6-9,14-15H,10-13,16-17H2,1-5H3,(H,26,27)
PubChem CID	11953367
ChEMBL	CHEMBL1254771
IUPHAR	N/A
BindingDB	50326708
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand is heavier than 500 daltons.

Experimental Data

Parameter	Value	Reference	Database source
pKb	9.5 -	PMID22369198	ChEMBL

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